X5J4K7_MOUSE Loading...

IgA heavy chain VDJ region

AlphaFold DB , UniProt , Accession X5J4K7, Species MOUSE (Mus musculus, Mouse), Gene n/a, Length 107 aa.

						>X5J4K7_MOUSE|X5J4K7
PELVKPGASVKISCKASGYSFTGYFMNWVKQSHGKSLEWIGRINPYNGDTFYNQKFKGKATLTVDKSSSTAHMELLSLTSEDSAVYYCGRSKYGNYYAMDYWGQGTS
					

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	P	59.1	Low	80.5	Confident	127 Å²	127	94.9 Å²	94.9	83%	0.825	55%	0.545	S	S	*	.				0	109.5	0	2.7	-21.2	0	0	0	107	L3 S107	P1-L3 PolarHBondContact O-N 3.22Å; P1-S107 CarbonylContact C-O 3.29Å; P1-S107 VanDerWaalsContact C-O 3.29Å; P1-S107 VanDerWaalsContact C-OXT 3.3Å; P1-S107 WeakPolarHBondContact CA-O 3.05Å; P1-S107 WeakPolarHBondContact CA-OXT 3.48Å; P1-S107 VanDerWaalsContact CD-CB 3.45Å; P1-S107 WeakPolarHBondContact CD-OG 3.46Å; P1-S107 VanDerWaalsContact N-CB 3.26Å
2	E	66.1	Low	81.7	Confident	112 Å²	112	88.1 Å²	88.1	52%	0.523	51%	0.505	S	S	.	.			trans	-83.2	109.7	-178.9	-167.4	175.4	176.8	0	0	107.3	V4 S107	E2-V4 PolarHBondContact O-N 3.27Å; E2-S107 PolarHBondContact N-O 3.39Å; E2-S107 PolarHBondContact N-OXT 2.73Å
3	L	73.1	Confident	82.7	Confident	173 Å²	173	85.8 Å²	85.8	91%	0.906	50%	0.497	S	S	*	.			trans	-87.6	103.4	177.7	-69.1	170.3	0	0	0	108.6	P1	P1-L3 PolarHBondContact O-N 3.22Å
4	V	77.6	Confident	83.4	Confident	61 Å²	61	80.5 Å²	80.5	37%	0.37	47%	0.467	S	S	.	.	P	Polyproline II helix	trans	-102.3	144.7	178.7	-113.8	0	0	0	0	111	E2 A8 L78	E2-V4 PolarHBondContact O-N 3.27Å; V4-A8 HydrophobicContact CG1-CB 4.32Å; V4-L78 HydrophobicContact CB-CD1 3.86Å; V4-L78 HydrophobicContact CG1-CD1 4.36Å; V4-L78 HydrophobicContact CG2-CD1 3.61Å
5	K	79.3	Confident	84.1	Confident	175 Å²	175	85.4 Å²	85.4	76%	0.761	48%	0.481	S	S	*	.	P	Polyproline II helix	trans	-69.8	143.6	176.2	-66.8	-179.4	-178.8	177.7	0	110.2	G7 A8	K5-G7 PolarHBondContact O-N 3.01Å; K5-A8 WeakPolarHBondContact O-CB 3.42Å; K5-A8 PolarHBondContact O-N 2.81Å; K5-A8 VanDerWaalsContact O-N 3.09Å
6	P	80.3	Confident	84.4	Confident	117 Å²	117	80.7 Å²	80.7	76%	0.76	46%	0.456	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.5	140.2	169.9	-24.4	33.8	0	0	0	111.3	A8 L78	P6-A8 PolarHBondContact O-N 2.96Å; P6-L78 WeakPolarHBondContact CA-O 3.34Å
7	G	83.7	Confident	84.6	Confident	53 Å²	53	81.4 Å²	81.4	55%	0.546	47%	0.467	S	S	.	.	T	Hydrogen-bonded Turn	trans	81.3	-10.3	-176.3	0	0	0	0	0	115	K5 L78	K5-G7 PolarHBondContact O-N 3.01Å; G7-L78 PolarHBondContact N-O 3.37Å
8	A	89.1	Confident	84.6	Confident	34 Å²	34	81.8 Å²	81.8	28%	0.281	49%	0.493	S	S	.	.			trans	-73.1	161.8	172.3	0	0	0	0	0	111.6	V4 K5 P6 S77 L78	V4-A8 HydrophobicContact CG1-CB 4.32Å; K5-A8 WeakPolarHBondContact O-CB 3.42Å; K5-A8 PolarHBondContact O-N 2.81Å; K5-A8 VanDerWaalsContact O-N 3.09Å; P6-A8 PolarHBondContact O-N 2.96Å; A8-S77 PolarHBondContact O-N 2.78Å; A8-L78 WeakPolarHBondContact O-CB 3.31Å; A8-L78 VanDerWaalsContact O-CG 3.3Å; A8-L78 WeakPolarHBondContact O-CG 3.2Å; A8-L78 PolarHBondContact O-N 3.43Å
9	S	91.4	Very high	84.5	Confident	59 Å²	59	80.3 Å²	80.3	41%	0.413	48%	0.477	S	S	.	.			trans	-101.6	146.7	167.6	-57.2	0	0	0	0	110	L75 L76	S9-L75 CarbonylContact C-O 3.48Å; S9-L75 WeakPolarHBondContact CA-O 2.88Å; S9-L75 WeakPolarHBondContact CB-O 3.45Å; S9-L76 WeakPolarHBondContact OG-CD2 3.1Å
10	V	92.4	Very high	84.7	Confident	16 Å²	16	80.1 Å²	80.1	10%	0.097	48%	0.48	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	143.2	174.6	69.2	0	0	0	0	110.2	E74 L75 L78	V10-E74 CarbonylContact O-C 3.58Å; V10-E74 VanDerWaalsContact O-CA 3.3Å; V10-E74 WeakPolarHBondContact O-CA 3.28Å; V10-L75 HydrophobicContact CG1-CB 4.02Å; V10-L75 HydrophobicContact CG1-CD1 4.23Å; V10-L75 PolarHBondContact N-O 3Å; V10-L75 PolarHBondContact O-N 2.98Å; V10-L78 HydrophobicContact CB-CD1 3.97Å; V10-L78 HydrophobicContact CG1-CD1 3.76Å; V10-L78 HydrophobicContact CG1-CD2 4.2Å; V10-L78 HydrophobicContact CG1-CG 4.4Å
11	K	93.9	Very high	85	Confident	117 Å²	117	76.6 Å²	76.6	51%	0.509	46%	0.459	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	111.3	176.2	-175.4	177.9	178.2	-179.9	0	110.2	H72	K11-H72 VanDerWaalsContact CE-CB 3.47Å; K11-H72 WeakPolarHBondContact CE-ND1 3.45Å; K11-H72 HydrophobicContact CG-CB 4.24Å
12	I	93.9	Very high	86.5	Confident	13 Å²	13	73 Å²	73	7%	0.067	44%	0.435	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	137.6	177.5	-57.7	160.8	0	0	0	108.6	W28 H72 M73 L75 Y86	I12-W28 HydrophobicContact CB-CH2 4.39Å; I12-W28 HydrophobicContact CB-CZ3 4.1Å; I12-W28 HydrophobicContact CG2-CH2 4.05Å; I12-W28 HydrophobicContact CG2-CZ3 3.61Å; I12-H72 CarbonylContact O-C 3.58Å; I12-H72 WeakPolarHBondContact O-CA 3.46Å; I12-M73 HydrophobicContact CD1-CE 3.54Å; I12-M73 PolarHBondContact N-O 3.2Å; I12-M73 PolarHBondContact O-N 3.35Å; I12-L75 HydrophobicContact CD1-CD1 4.02Å; I12-Y86 HydrophobicContact CD1-CD1 4.35Å; I12-Y86 HydrophobicContact CD1-CD2 3.86Å; I12-Y86 HydrophobicContact CD1-CG 3.75Å
13	S	94.8	Very high	87.6	Confident	58 Å²	58	69 Å²	69	41%	0.406	42%	0.424	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120	141.4	-176.3	-57.2	0	0	0	0	111.6	A71 H72	S13-A71 CarbonylContact C-O 3.55Å; S13-H72 WeakPolarHBondContact CB-ND1 3.32Å; S13-H72 PolarHBondContact OG-CE1 2.83Å; S13-H72 PolarHBondContact OG-ND1 3.46Å
14	C	93.4	Very high	88.4	Confident	12 Å²	12	63.1 Å²	63.1	8%	0.081	39%	0.39	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	106.8	178.5	-178.4	0	0	0	0	109.9	W28 T70 A71 C88	C14-W28 HydrophobicContact CB-CH2 3.75Å; C14-W28 HydrophobicContact CB-CZ2 4.01Å; C14-T70 WeakPolarHBondContact O-CA 3.41Å; C14-A71 PolarHBondContact N-O 2.8Å; C14-A71 PolarHBondContact O-N 3Å; C14-C88 HydrophobicContact CB-CB 3.47Å; C14-C88 VanDerWaalsContact CB-CB 3.47Å; C14-C88 WeakPolarHBondContact CB-SG 3.5Å; C14-C88 WeakPolarHBondContact SG-CB 3.04Å; C14-C88 CovalentContact SG-SG 2.02Å; C14-C88 PolarHBondContact SG-SG 3.25Å
15	K	93.1	Very high	89	Confident	154 Å²	154	61.3 Å²	61.3	67%	0.67	38%	0.377	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-91.4	124.7	-178.8	-171.7	173.6	-177.1	177.4	0	110.7	T70	K15-T70 HydrophobicContact CB-CG2 4.49Å
16	A	89	Confident	89.7	Confident	10 Å²	10	53.1 Å²	53.1	8%	0.083	34%	0.341	C	S	.	.			trans	-74.8	142.8	172.4	0	0	0	0	0	110.8	Y19 F21 S69	A16-Y19 HydrophobicContact CB-CE1 3.92Å; A16-Y19 HydrophobicContact CB-CE2 3.84Å; A16-Y19 VanDerWaalsContact CB-CZ 3.4Å; A16-Y19 VanDerWaalsContact CB-OH 3.27Å; A16-Y19 WeakPolarHBondContact CB-OH 3.49Å; A16-F21 HydrophobicContact CB-CB 4.07Å; A16-F21 HydrophobicContact CB-CD2 3.44Å; A16-F21 VanDerWaalsContact CB-CD2 3.44Å; A16-F21 HydrophobicContact CB-CE2 4.15Å; A16-F21 HydrophobicContact CB-CG 4.02Å; A16-S69 WeakPolarHBondContact CB-O 3.27Å; A16-S69 PolarHBondContact N-O 2.66Å
17	S	87.4	Confident	90.3	Very high	92 Å²	92	47.8 Å²	47.8	64%	0.643	31%	0.307	S	S	*	.			trans	-145.7	141.4	175.4	59.8	0	0	0	0	110.6	Y19	S17-Y19 WeakPolarHBondContact O-CD1 3.06Å; S17-Y19 WeakPolarHBondContact O-CE1 3.06Å; S17-Y19 PolarHBondContact O-N 3.47Å
18	G	85.6	Confident	90.8	Very high	90 Å²	90	45.3 Å²	45.3	93%	0.928	28%	0.281	S	S	*	.	S	Bend	trans	76.3	16.2	176.4	0	0	0	0	0	115.9
19	Y	82.7	Confident	91	Very high	52 Å²	52	44 Å²	44	20%	0.204	27%	0.269	C	S	.	.	S	Bend	trans	-157.9	165.3	174.7	61.2	-85.4	0	0	0	112.8	A16 S17 F21 Y24	A16-Y19 HydrophobicContact CB-CE1 3.92Å; A16-Y19 HydrophobicContact CB-CE2 3.84Å; A16-Y19 VanDerWaalsContact CB-CZ 3.4Å; A16-Y19 VanDerWaalsContact CB-OH 3.27Å; A16-Y19 WeakPolarHBondContact CB-OH 3.49Å; S17-Y19 WeakPolarHBondContact O-CD1 3.06Å; S17-Y19 WeakPolarHBondContact O-CE1 3.06Å; S17-Y19 PolarHBondContact O-N 3.47Å; Y19-F21 PolarHBondContact O-N 3Å; Y19-F21 VanDerWaalsContact O-N 3.16Å; Y19-Y24 AromaticContact CD2-CD2 3.5Å; Y19-Y24 HydrophobicContact CD2-CD2 3.5Å; Y19-Y24 VanDerWaalsContact CD2-CD2 3.5Å; Y19-Y24 AromaticContact CD2-CE2 3.71Å; Y19-Y24 HydrophobicContact CD2-CE2 3.71Å; Y19-Y24 HydrophobicContact CD2-CG 4.35Å; Y19-Y24 AromaticContact CE2-CD2 3.91Å; Y19-Y24 HydrophobicContact CE2-CD2 3.91Å; Y19-Y24 HydrophobicContact CE2-CG 4.38Å; Y19-Y24 HydrophobicContact CG-CD2 4.48Å; Y19-Y24 HydrophobicContact CG-CE2 4.3Å
20	S	89	Confident	91.1	Very high	77 Å²	77	41.8 Å²	41.8	54%	0.538	25%	0.252	S	S	.	.			trans	-70.9	104.9	171.8	-177	0	0	0	0	110.6	T22 G23 Y24	S20-T22 VanDerWaalsContact C-N 3.27Å; S20-T22 PolarHBondContact O-N 3.41Å; S20-T22 PolarHBondContact OG-OG1 3.4Å; S20-G23 PolarHBondContact O-N 3.05Å; S20-Y24 WeakPolarHBondContact O-CD2 2.99Å
21	F	89.7	Confident	91	Very high	7 Å²	7	44.2 Å²	44.2	3%	0.031	26%	0.263	C	S	.	.	G	3₁₀ helix	trans	-56.6	-37.5	-174.7	178	-128.7	0	0	0	113.6	A16 Y19 G23 M26 P45 V64 A71	A16-F21 HydrophobicContact CB-CB 4.07Å; A16-F21 HydrophobicContact CB-CD2 3.44Å; A16-F21 VanDerWaalsContact CB-CD2 3.44Å; A16-F21 HydrophobicContact CB-CE2 4.15Å; A16-F21 HydrophobicContact CB-CG 4.02Å; Y19-F21 PolarHBondContact O-N 3Å; Y19-F21 VanDerWaalsContact O-N 3.16Å; F21-G23 PolarHBondContact O-N 2.92Å; F21-M26 HydrophobicContact CE2-CE 3.97Å; F21-P45 HydrophobicContact CD1-CB 3.78Å; F21-P45 HydrophobicContact CD1-CG 4.4Å; F21-P45 HydrophobicContact CD2-CB 4.37Å; F21-P45 HydrophobicContact CD2-CG 4.12Å; F21-P45 HydrophobicContact CE1-CB 3.54Å; F21-P45 HydrophobicContact CE1-CG 4.06Å; F21-P45 HydrophobicContact CE2-CB 4.15Å; F21-P45 HydrophobicContact CE2-CG 3.74Å; F21-P45 HydrophobicContact CG-CB 4.22Å; F21-P45 HydrophobicContact CG-CG 4.45Å; F21-P45 HydrophobicContact CZ-CB 3.74Å; F21-P45 HydrophobicContact CZ-CG 3.71Å; F21-V64 HydrophobicContact CE1-CB 4.33Å; F21-V64 HydrophobicContact CE1-CG1 4.34Å; F21-V64 HydrophobicContact CZ-CB 4.44Å; F21-V64 HydrophobicContact CZ-CG1 4.02Å; F21-A71 HydrophobicContact CE2-CB 4.37Å; F21-A71 HydrophobicContact CZ-CB 4.04Å
22	T	91.8	Very high	90.9	Very high	51 Å²	51	39.3 Å²	39.3	31%	0.313	24%	0.243	S	C	.	.	G	3₁₀ helix	trans	-72.8	-11.8	178.6	55.7	0	0	0	0	113.6	S20 Y24 Y93	S20-T22 VanDerWaalsContact C-N 3.27Å; S20-T22 PolarHBondContact O-N 3.41Å; S20-T22 PolarHBondContact OG-OG1 3.4Å; T22-Y24 VanDerWaalsContact C-N 3.31Å; T22-Y24 PolarHBondContact O-N 3.01Å; T22-Y93 PolarHBondContact O-OH 2.84Å
23	G	89	Confident	90.6	Very high	29 Å²	29	45.9 Å²	45.9	30%	0.299	27%	0.273	S	S	.	.	G	3₁₀ helix	trans	-81.5	0.4	178.9	0	0	0	0	0	115.4	S20 F21 Y93	S20-G23 PolarHBondContact O-N 3.05Å; F21-G23 PolarHBondContact O-N 2.92Å; G23-Y93 VanDerWaalsContact O-CD2 3.28Å; G23-Y93 WeakPolarHBondContact O-CD2 3.42Å; G23-Y93 WeakPolarHBondContact O-CE2 3.42Å
24	Y	88.8	Confident	90.1	Very high	48 Å²	48	47.6 Å²	47.6	19%	0.188	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.3	151.7	-172	-63.7	-95	0	0	0	111.7	Y19 S20 T22 P45 R90 S91 K92	Y19-Y24 AromaticContact CD2-CD2 3.5Å; Y19-Y24 HydrophobicContact CD2-CD2 3.5Å; Y19-Y24 VanDerWaalsContact CD2-CD2 3.5Å; Y19-Y24 AromaticContact CD2-CE2 3.71Å; Y19-Y24 HydrophobicContact CD2-CE2 3.71Å; Y19-Y24 HydrophobicContact CD2-CG 4.35Å; Y19-Y24 AromaticContact CE2-CD2 3.91Å; Y19-Y24 HydrophobicContact CE2-CD2 3.91Å; Y19-Y24 HydrophobicContact CE2-CG 4.38Å; Y19-Y24 HydrophobicContact CG-CD2 4.48Å; Y19-Y24 HydrophobicContact CG-CE2 4.3Å; S20-Y24 WeakPolarHBondContact O-CD2 2.99Å; T22-Y24 VanDerWaalsContact C-N 3.31Å; T22-Y24 PolarHBondContact O-N 3.01Å; Y24-P45 WeakPolarHBondContact O-CD 3.37Å; Y24-P45 WeakPolarHBondContact O-CG 3.4Å; Y24-R90 HydrophobicContact CD1-CB 4.31Å; Y24-R90 HydrophobicContact CD1-CG 4.26Å; Y24-R90 HydrophobicContact CG-CB 4.37Å; Y24-S91 WeakPolarHBondContact CA-O 3.44Å; Y24-K92 HydrophobicContact CD1-CG 3.9Å; Y24-K92 HydrophobicContact CE1-CD 4.37Å; Y24-K92 HydrophobicContact CE1-CG 3.45Å; Y24-K92 VanDerWaalsContact CE1-CG 3.45Å
25	F	91.6	Very high	89.7	Confident	23 Å²	23	53.7 Å²	53.7	10%	0.101	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.8	144.4	162.7	-66.5	-72	0	0	0	110.3	N44 R90 S91 Y93	F25-N44 HydrophobicContact CD1-CB 3.86Å; F25-N44 HydrophobicContact CE1-CB 3.73Å; F25-R90 VanDerWaalsContact O-CA 3.25Å; F25-R90 WeakPolarHBondContact O-CA 3.2Å; F25-S91 PolarHBondContact N-O 3.2Å; F25-S91 PolarHBondContact O-N 3.01Å; F25-Y93 HydrophobicContact CD1-CE1 4.23Å; F25-Y93 AromaticContact CD2-CD1 3.95Å; F25-Y93 HydrophobicContact CD2-CD1 3.95Å; F25-Y93 HydrophobicContact CD2-CE1 4.14Å; F25-Y93 HydrophobicContact CE1-CD1 4.19Å; F25-Y93 AromaticContact CE1-CE1 3.82Å; F25-Y93 HydrophobicContact CE1-CE1 3.82Å; F25-Y93 AromaticContact CE2-CD1 3.3Å; F25-Y93 HydrophobicContact CE2-CD1 3.3Å; F25-Y93 AromaticContact CE2-CE1 3.74Å; F25-Y93 HydrophobicContact CE2-CE1 3.74Å; F25-Y93 HydrophobicContact CE2-CG 4.25Å; F25-Y93 HydrophobicContact CG-CE1 4.38Å; F25-Y93 AromaticContact CZ-CD1 3.44Å; F25-Y93 HydrophobicContact CZ-CD1 3.44Å; F25-Y93 VanDerWaalsContact CZ-CD1 3.44Å; F25-Y93 AromaticContact CZ-CE1 3.55Å; F25-Y93 HydrophobicContact CZ-CE1 3.55Å
26	M	92.6	Very high	89.5	Confident	3 Å²	3	50.8 Å²	50.8	2%	0.015	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	118.7	166.3	-170.4	59.6	68	0	0	109.7	F21 R42 I43 A71 C88	F21-M26 HydrophobicContact CE2-CE 3.97Å; M26-R42 CarbonylContact O-C 3.55Å; M26-R42 WeakPolarHBondContact O-CA 3.5Å; M26-R42 WeakPolarHBondContact O-CB 3.4Å; M26-I43 HydrophobicContact CB-CG2 4.01Å; M26-I43 PolarHBondContact N-O 2.81Å; M26-I43 PolarHBondContact O-N 3.4Å; M26-A71 HydrophobicContact CB-CB 4.05Å; M26-A71 HydrophobicContact CG-CB 3.62Å; M26-C88 HydrophobicContact CG-CB 4.49Å; M26-C88 HydrophobicContact SD-CB 3.89Å
27	N	93.2	Very high	89.5	Confident	5 Å²	5	54.3 Å²	54.3	3%	0.027	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	148.3	179.1	-57.9	-89.3	0	0	0	109.9	W39 G41 R42 C88 G89 S91 M99	N27-W39 PolarHBondContact OD1-NE1 2.92Å; N27-G41 WeakPolarHBondContact CA-O 3.41Å; N27-R42 WeakPolarHBondContact OD1-CB 3.28Å; N27-C88 CarbonylContact O-C 3.56Å; N27-C88 WeakPolarHBondContact O-CA 3.5Å; N27-G89 WeakPolarHBondContact CB-O 3.15Å; N27-G89 PolarHBondContact N-O 2.99Å; N27-G89 PolarHBondContact ND2-O 2.74Å; N27-G89 PolarHBondContact O-N 2.76Å; N27-S91 PolarHBondContact ND2-OG 3.41Å; N27-M99 HydrophobicContact CB-CE 3.86Å; N27-M99 HydrophobicContact CB-SD 4.18Å
28	W	94.4	Very high	89.8	Confident	2 Å²	2	52.2 Å²	52.2	1%	0.008	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	135.3	176.5	-67.9	90.9	0	0	0	110.1	I12 C14 I40 G41 L62 A71 M73 Y87 C88	I12-W28 HydrophobicContact CB-CH2 4.39Å; I12-W28 HydrophobicContact CB-CZ3 4.1Å; I12-W28 HydrophobicContact CG2-CH2 4.05Å; I12-W28 HydrophobicContact CG2-CZ3 3.61Å; C14-W28 HydrophobicContact CB-CH2 3.75Å; C14-W28 HydrophobicContact CB-CZ2 4.01Å; W28-I40 HydrophobicContact CB-CB 4.1Å; W28-I40 HydrophobicContact CB-CD1 4.31Å; W28-I40 WeakPolarHBondContact O-CB 3.23Å; W28-I40 PolarHBondContact O-N 2.82Å; W28-G41 PolarHBondContact N-O 3.03Å; W28-L62 VanDerWaalsContact CD1-CD2 3.47Å; W28-L62 HydrophobicContact CG-CD2 3.97Å; W28-A71 HydrophobicContact CZ2-CB 4.13Å; W28-M73 HydrophobicContact CB-SD 3.9Å; W28-M73 HydrophobicContact CD2-CB 3.65Å; W28-M73 HydrophobicContact CD2-CE 4.49Å; W28-M73 HydrophobicContact CD2-CG 4.43Å; W28-M73 HydrophobicContact CD2-SD 4.05Å; W28-M73 HydrophobicContact CE3-CB 3.77Å; W28-M73 HydrophobicContact CE3-CE 3.86Å; W28-M73 HydrophobicContact CE3-SD 4.01Å; W28-M73 HydrophobicContact CG-CB 4.26Å; W28-M73 HydrophobicContact CG-SD 4.03Å; W28-M73 HydrophobicContact CH2-CB 3.94Å; W28-M73 HydrophobicContact CZ2-CB 3.84Å; W28-M73 HydrophobicContact CZ3-CB 3.92Å; W28-M73 HydrophobicContact CZ3-CE 4.33Å; W28-Y87 WeakPolarHBondContact CA-O 3.49Å; W28-C88 HydrophobicContact CD2-CB 4.39Å; W28-C88 HydrophobicContact CE3-CB 4.14Å; W28-C88 HydrophobicContact CH2-CB 4.32Å; W28-C88 HydrophobicContact CZ3-CB 4.1Å
29	V	93.8	Very high	90.1	Very high	6 Å²	6	51.1 Å²	51.1	4%	0.036	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137	137.8	-174	-176.4	0	0	0	0	109.5	L37 E38 Y86 Y87 M99 W102	V29-L37 HydrophobicContact CG1-CB 3.77Å; V29-L37 HydrophobicContact CG1-CD2 3.71Å; V29-L37 HydrophobicContact CG1-CG 4.28Å; V29-E38 CarbonylContact C-O 3.58Å; V29-E38 WeakPolarHBondContact CA-O 3.2Å; V29-E38 WeakPolarHBondContact CG1-O 3.38Å; V29-Y86 WeakPolarHBondContact O-CA 3.33Å; V29-Y87 PolarHBondContact N-O 3.27Å; V29-Y87 PolarHBondContact O-N 2.75Å; V29-M99 HydrophobicContact CG2-SD 4.37Å; V29-W102 HydrophobicContact CB-CH2 4.38Å; V29-W102 HydrophobicContact CB-CZ3 4.1Å; V29-W102 HydrophobicContact CG1-CH2 4.24Å; V29-W102 HydrophobicContact CG1-CZ3 4.2Å; V29-W102 HydrophobicContact CG2-CH2 4.18Å; V29-W102 HydrophobicContact CG2-CZ3 4.25Å
30	K	93.1	Very high	90.7	Very high	12 Å²	12	48.7 Å²	48.7	5%	0.052	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	137.5	174.2	-176.1	179.6	178.8	-177.3	0	109.9	S32 E38 I40 F56 E81 D82 A84 Y86	K30-S32 WeakPolarHBondContact CE-OG 2.95Å; K30-E38 HydrophobicContact CB-CB 4.47Å; K30-E38 PolarHBondContact N-O 2.94Å; K30-E38 PolarHBondContact O-N 3.38Å; K30-I40 HydrophobicContact CB-CD1 4.03Å; K30-I40 HydrophobicContact CB-CG1 4.17Å; K30-F56 HydrophobicContact CB-CZ 4.41Å; K30-F56 HydrophobicContact CD-CE1 3.92Å; K30-F56 HydrophobicContact CD-CZ 4Å; K30-E81 WeakPolarHBondContact CE-O 3.49Å; K30-E81 PolarHBondContact NZ-O 3.46Å; K30-D82 IonicContact NZ-OD1 3.53Å; K30-A84 HydrophobicContact CD-CB 4.14Å; K30-A84 HydrophobicContact CG-CB 3.49Å; K30-A84 VanDerWaalsContact CG-CB 3.49Å; K30-Y86 HydrophobicContact CB-CD1 4.13Å; K30-Y86 HydrophobicContact CB-CE1 3.89Å; K30-Y86 HydrophobicContact CD-CE1 4Å; K30-Y86 HydrophobicContact CG-CD1 4.27Å; K30-Y86 HydrophobicContact CG-CE1 3.72Å
31	Q	91.4	Very high	91	Very high	68 Å²	68	45 Å²	45	32%	0.318	25%	0.253	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124	98.7	169.5	-167.8	179.1	27	0	0	109.9	L37 A84 V85 Y87	Q31-L37 HydrophobicContact CB-CD2 3.78Å; Q31-L37 HydrophobicContact CG-CD2 4Å; Q31-A84 WeakPolarHBondContact O-CA 3.18Å; Q31-A84 WeakPolarHBondContact O-CB 2.99Å; Q31-V85 PolarHBondContact N-O 2.73Å; Q31-V85 PolarHBondContact O-N 2.79Å; Q31-Y87 HydrophobicContact CB-CD2 4.39Å; Q31-Y87 HydrophobicContact CB-CE2 3.7Å; Q31-Y87 VanDerWaalsContact OE1-CE2 3.3Å; Q31-Y87 PolarHBondContact OE1-OH 2.83Å
32	S	91.1	Very high	91.3	Very high	13 Å²	13	47.1 Å²	47.1	9%	0.091	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.3	152.7	171.4	-69.7	0	0	0	0	110.9	K30 G34 K35	K30-S32 WeakPolarHBondContact CE-OG 2.95Å; S32-G34 PolarHBondContact O-N 3.09Å; S32-K35 PolarHBondContact O-N 2.92Å
33	H	87.4	Confident	91.4	Very high	152 Å²	152	44.9 Å²	44.9	70%	0.704	25%	0.247	S	C	*	.	T	Hydrogen-bonded Turn	trans	-56.3	124	-178.4	-69.7	-155.3	0	0	0	110.9	K35	H33-K35 PolarHBondContact O-N 3.17Å
34	G	84.4	Confident	91.7	Very high	93 Å²	93	44 Å²	44	96%	0.959	24%	0.236	S	C	*	.	T	Hydrogen-bonded Turn	trans	69.6	9.6	-179.7	0	0	0	0	0	115.6	S32	S32-G34 PolarHBondContact O-N 3.09Å
35	K	85.1	Confident	91.9	Very high	140 Å²	140	41.8 Å²	41.8	61%	0.609	23%	0.227	S	C	*	.	S	Bend	trans	-113.2	160.7	179.3	-63.1	-170.4	-178.1	176.2	0	112.3	S32 H33	S32-K35 PolarHBondContact O-N 2.92Å; H33-K35 PolarHBondContact O-N 3.17Å
36	S	87.5	Confident	92	Very high	94 Å²	94	48.3 Å²	48.3	66%	0.657	25%	0.252	S	S	*	.			trans	-64.5	162.2	170.9	58.2	0	0	0	0	111.8	E38	S36-E38 PolarHBondContact O-N 3.47Å
37	L	90.6	Very high	92.1	Very high	84 Å²	84	52 Å²	52	44%	0.44	27%	0.272	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.5	128.8	173.2	-68.5	165.8	0	0	0	110.8	V29 Q31 Y87 W102	V29-L37 HydrophobicContact CG1-CB 3.77Å; V29-L37 HydrophobicContact CG1-CD2 3.71Å; V29-L37 HydrophobicContact CG1-CG 4.28Å; Q31-L37 HydrophobicContact CB-CD2 3.78Å; Q31-L37 HydrophobicContact CG-CD2 4Å; L37-Y87 HydrophobicContact CD2-CD2 4.31Å; L37-Y87 HydrophobicContact CD2-CE2 4.3Å; L37-W102 HydrophobicContact CD1-CH2 3.73Å; L37-W102 HydrophobicContact CD1-CZ2 4.26Å; L37-W102 HydrophobicContact CD1-CZ3 4.37Å; L37-W102 HydrophobicContact CD2-CH2 4.34Å; L37-W102 HydrophobicContact CD2-CZ3 4.26Å
38	E	92.7	Very high	92.1	Very high	47 Å²	47	53.2 Å²	53.2	22%	0.22	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	117.4	175.2	-67.4	-168.6	-64.5	0	0	110.1	V29 K30 S36 I40 K55 F56	V29-E38 CarbonylContact C-O 3.58Å; V29-E38 WeakPolarHBondContact CA-O 3.2Å; V29-E38 WeakPolarHBondContact CG1-O 3.38Å; K30-E38 HydrophobicContact CB-CB 4.47Å; K30-E38 PolarHBondContact N-O 2.94Å; K30-E38 PolarHBondContact O-N 3.38Å; S36-E38 PolarHBondContact O-N 3.47Å; E38-I40 PolarHBondContact O-N 2.02Å; E38-K55 IonicContact OE2-NZ 2.8Å; E38-K55 PolarHBondContact OE2-NZ 3.4Å; E38-F56 HydrophobicContact CB-CE2 4.4Å; E38-F56 HydrophobicContact CB-CZ 4.38Å
39	W	93.1	Very high	92.1	Very high	68 Å²	68	57.9 Å²	57.9	26%	0.258	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.7	126.1	175.8	-177.1	79.3	0	0	0	110.7	N27 G41 R42 F51 N53	N27-W39 PolarHBondContact OD1-NE1 2.92Å; W39-G41 VanDerWaalsContact CH2-CA 3.42Å; W39-G41 PolarHBondContact NE1-O 2.91Å; W39-R42 HydrophobicContact CZ2-CB 3.91Å; W39-R42 HydrophobicContact CZ2-CG 3.95Å; W39-R42 VanDerWaalsContact CZ2-N 3.35Å; W39-F51 HydrophobicContact CH2-CB 4.4Å; W39-F51 AromaticContact CH2-CD1 3.41Å; W39-F51 HydrophobicContact CH2-CD1 3.41Å; W39-F51 VanDerWaalsContact CH2-CD1 3.41Å; W39-F51 HydrophobicContact CH2-CE1 4.09Å; W39-F51 HydrophobicContact CH2-CG 4.31Å; W39-F51 WeakPolarHBondContact CH2-O 2.95Å; W39-F51 HydrophobicContact CZ2-CD1 4.39Å; W39-F51 AromaticContact CZ3-CD1 3.95Å; W39-F51 HydrophobicContact CZ3-CD1 3.95Å; W39-F51 HydrophobicContact CZ3-CE1 4.18Å; W39-N53 HydrophobicContact CE3-CB 3.89Å; W39-N53 HydrophobicContact CZ3-CB 3.99Å; W39-N53 VanDerWaalsContact O-CB 3.23Å; W39-N53 WeakPolarHBondContact O-CB 3.42Å; W39-N53 PolarHBondContact O-ND2 3.28Å
40	I	95.4	Very high	92.2	Very high	0 Å²	0	60.6 Å²	60.6	0%	0	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.4	-49.8	-177.1	-60.7	174.7	0	0	0	110.2	W28 K30 E38 N53 F56 A60 M73 Y86	W28-I40 HydrophobicContact CB-CB 4.1Å; W28-I40 HydrophobicContact CB-CD1 4.31Å; W28-I40 WeakPolarHBondContact O-CB 3.23Å; W28-I40 PolarHBondContact O-N 2.82Å; K30-I40 HydrophobicContact CB-CD1 4.03Å; K30-I40 HydrophobicContact CB-CG1 4.17Å; E38-I40 PolarHBondContact O-N 2.02Å; I40-N53 WeakPolarHBondContact O-CB 3.47Å; I40-N53 PolarHBondContact O-N 3.32Å; I40-F56 HydrophobicContact CB-CD2 4.23Å; I40-F56 HydrophobicContact CB-CG 4.21Å; I40-F56 HydrophobicContact CG1-CD1 4.14Å; I40-F56 HydrophobicContact CG1-CD2 4.2Å; I40-F56 HydrophobicContact CG1-CE1 4.05Å; I40-F56 HydrophobicContact CG1-CE2 4.1Å; I40-F56 HydrophobicContact CG1-CG 4.21Å; I40-F56 HydrophobicContact CG1-CZ 4.03Å; I40-F56 HydrophobicContact CG2-CB 3.74Å; I40-F56 HydrophobicContact CG2-CD1 4.11Å; I40-F56 HydrophobicContact CG2-CD2 4.29Å; I40-F56 HydrophobicContact CG2-CG 3.79Å; I40-A60 HydrophobicContact CG2-CB 3.81Å; I40-M73 HydrophobicContact CD1-CE 3.9Å; I40-M73 HydrophobicContact CD1-SD 3.54Å; I40-M73 VanDerWaalsContact CD1-SD 3.54Å; I40-M73 HydrophobicContact CG2-SD 3.97Å; I40-Y86 HydrophobicContact CD1-CD1 3.75Å; I40-Y86 HydrophobicContact CD1-CE1 3.8Å
41	G	95.1	Very high	92.3	Very high	0 Å²	0	66 Å²	66	0%	0	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	173.7	174	-168.6	0	0	0	0	0	112.5	N27 W28 W39 F51	N27-G41 WeakPolarHBondContact CA-O 3.41Å; W28-G41 PolarHBondContact N-O 3.03Å; W39-G41 VanDerWaalsContact CH2-CA 3.42Å; W39-G41 PolarHBondContact NE1-O 2.91Å; G41-F51 CarbonylContact C-O 3.6Å; G41-F51 WeakPolarHBondContact CA-O 3.3Å
42	R	94.4	Very high	92.4	Very high	52 Å²	52	65 Å²	65	20%	0.196	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.8	154.1	169.4	69.8	-177.5	-177.9	-164.7	0.4	111.1	M26 N27 W39 T50 F51	M26-R42 CarbonylContact O-C 3.55Å; M26-R42 WeakPolarHBondContact O-CA 3.5Å; M26-R42 WeakPolarHBondContact O-CB 3.4Å; N27-R42 WeakPolarHBondContact OD1-CB 3.28Å; W39-R42 HydrophobicContact CZ2-CB 3.91Å; W39-R42 HydrophobicContact CZ2-CG 3.95Å; W39-R42 VanDerWaalsContact CZ2-N 3.35Å; R42-T50 CarbonylContact O-C 3.59Å; R42-T50 VanDerWaalsContact O-CA 3.31Å; R42-T50 WeakPolarHBondContact O-CA 3.42Å; R42-F51 HydrophobicContact CG-CB 4.08Å; R42-F51 PolarHBondContact N-O 2.7Å; R42-F51 PolarHBondContact O-N 2.86Å
43	I	95.3	Very high	92.6	Very high	4 Å²	4	66.8 Å²	66.8	2%	0.021	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	139.7	170.3	-174.7	157.8	0	0	0	109.9	M26 P45 D49 T50 L62 V64	M26-I43 HydrophobicContact CB-CG2 4.01Å; M26-I43 PolarHBondContact N-O 2.81Å; M26-I43 PolarHBondContact O-N 3.4Å; I43-P45 WeakPolarHBondContact O-CD 3.33Å; I43-D49 CarbonylContact C-O 3.54Å; I43-D49 WeakPolarHBondContact CA-O 3.25Å; I43-T50 HydrophobicContact CB-CG2 4.09Å; I43-T50 HydrophobicContact CD1-CG2 3.74Å; I43-T50 HydrophobicContact CG1-CG2 3.86Å; I43-L62 HydrophobicContact CB-CB 4.06Å; I43-L62 HydrophobicContact CB-CD1 4.36Å; I43-L62 HydrophobicContact CD1-CB 4.17Å; I43-L62 HydrophobicContact CG2-CB 4.38Å; I43-V64 HydrophobicContact CD1-CB 4.47Å; I43-V64 HydrophobicContact CD1-CG1 3.79Å; I43-V64 HydrophobicContact CD1-CG2 4.21Å; I43-V64 HydrophobicContact CG1-CG1 3.91Å; I43-V64 HydrophobicContact CG2-CG1 3.79Å
44	N	94.4	Very high	92.9	Very high	11 Å²	11	66.5 Å²	66.5	6%	0.059	35%	0.352	C	S	.	.			trans	-87.3	110.7	170	-175.5	-17.8	0	0	0	109.4	F25 Y46 N47 G48 D49 Y93	F25-N44 HydrophobicContact CD1-CB 3.86Å; F25-N44 HydrophobicContact CE1-CB 3.73Å; N44-Y46 PolarHBondContact O-N 3.06Å; N44-Y46 WeakPolarHBondContact OD1-CA 3.22Å; N44-Y46 WeakPolarHBondContact OD1-CB 3.02Å; N44-Y46 PolarHBondContact OD1-N 3.05Å; N44-N47 WeakPolarHBondContact CB-OD1 3.43Å; N44-N47 PolarHBondContact ND2-OD1 2.7Å; N44-G48 WeakPolarHBondContact O-CA 3.44Å; N44-G48 PolarHBondContact O-N 3.3Å; N44-D49 HydrophobicContact CB-CB 4.11Å; N44-D49 PolarHBondContact N-O 2.91Å; N44-Y93 PolarHBondContact OD1-OH 3.01Å
45	P	94.4	Very high	93.2	Very high	0 Å²	0	69 Å²	69	0%	0	34%	0.337	C	S	.	.	T	Hydrogen-bonded Turn	trans	-68.9	-16.9	178.1	-16.9	32.9	0	0	0	114.1	F21 Y24 I43 V64 K66	F21-P45 HydrophobicContact CD1-CB 3.78Å; F21-P45 HydrophobicContact CD1-CG 4.4Å; F21-P45 HydrophobicContact CD2-CB 4.37Å; F21-P45 HydrophobicContact CD2-CG 4.12Å; F21-P45 HydrophobicContact CE1-CB 3.54Å; F21-P45 HydrophobicContact CE1-CG 4.06Å; F21-P45 HydrophobicContact CE2-CB 4.15Å; F21-P45 HydrophobicContact CE2-CG 3.74Å; F21-P45 HydrophobicContact CG-CB 4.22Å; F21-P45 HydrophobicContact CG-CG 4.45Å; F21-P45 HydrophobicContact CZ-CB 3.74Å; F21-P45 HydrophobicContact CZ-CG 3.71Å; Y24-P45 WeakPolarHBondContact O-CD 3.37Å; Y24-P45 WeakPolarHBondContact O-CG 3.4Å; I43-P45 WeakPolarHBondContact O-CD 3.33Å; P45-V64 HydrophobicContact CB-CG1 4.08Å; P45-V64 HydrophobicContact CG-CG1 4.22Å; P45-K66 WeakPolarHBondContact O-CD 3.39Å; P45-K66 WeakPolarHBondContact O-CE 3.05Å
46	Y	93.4	Very high	93.6	Very high	161 Å²	161	62.8 Å²	62.8	63%	0.631	31%	0.31	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.2	-52.2	176.6	179.4	-107.1	0	0	0	112	N44 K66	N44-Y46 PolarHBondContact O-N 3.06Å; N44-Y46 WeakPolarHBondContact OD1-CA 3.22Å; N44-Y46 WeakPolarHBondContact OD1-CB 3.02Å; N44-Y46 PolarHBondContact OD1-N 3.05Å; Y46-K66 PolarHBondContact O-NZ 2.86Å
47	N	93.8	Very high	93.8	Very high	79 Å²	79	64.9 Å²	64.9	42%	0.422	31%	0.307	S	S	.	.	T	Hydrogen-bonded Turn	trans	-118.5	-7.7	-174.4	65.8	1.8	0	0	0	114.8	N44 D49	N44-N47 WeakPolarHBondContact CB-OD1 3.43Å; N44-N47 PolarHBondContact ND2-OD1 2.7Å; N47-D49 VanDerWaalsContact CG-CG 3.46Å; N47-D49 VanDerWaalsContact ND2-CG 3.29Å; N47-D49 PolarHBondContact ND2-OD2 2.77Å; N47-D49 WeakPolarHBondContact OD1-CB 3.46Å; N47-D49 VanDerWaalsContact OD1-CG 3.25Å; N47-D49 PolarHBondContact OD1-N 2.86Å; N47-D49 PolarHBondContact OD1-OD2 3.02Å
48	G	93.4	Very high	93.8	Very high	31 Å²	31	64.1 Å²	64.1	32%	0.32	32%	0.319	S	S	.	.			trans	88.1	1.1	-179.2	0	0	0	0	0	114.6	N44 T50	N44-G48 WeakPolarHBondContact O-CA 3.44Å; N44-G48 PolarHBondContact O-N 3.3Å; G48-T50 PolarHBondContact O-N 2.85Å
49	D	94.7	Very high	93.9	Very high	100 Å²	100	63.9 Å²	63.9	54%	0.535	32%	0.318	S	S	.	.			trans	-61.9	129.3	-176.8	-71.3	-13.6	0	0	0	111.8	I43 N44 N47	I43-D49 CarbonylContact C-O 3.54Å; I43-D49 WeakPolarHBondContact CA-O 3.25Å; N44-D49 HydrophobicContact CB-CB 4.11Å; N44-D49 PolarHBondContact N-O 2.91Å; N47-D49 VanDerWaalsContact CG-CG 3.46Å; N47-D49 VanDerWaalsContact ND2-CG 3.29Å; N47-D49 PolarHBondContact ND2-OD2 2.77Å; N47-D49 WeakPolarHBondContact OD1-CB 3.46Å; N47-D49 VanDerWaalsContact OD1-CG 3.25Å; N47-D49 PolarHBondContact OD1-N 2.86Å; N47-D49 PolarHBondContact OD1-OD2 3.02Å
50	T	95.3	Very high	94	Very high	63 Å²	63	60.8 Å²	60.8	39%	0.387	31%	0.307	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	142	179.8	56.6	0	0	0	0	112.1	R42 I43 G48 Y52 L62	R42-T50 CarbonylContact O-C 3.59Å; R42-T50 VanDerWaalsContact O-CA 3.31Å; R42-T50 WeakPolarHBondContact O-CA 3.42Å; I43-T50 HydrophobicContact CB-CG2 4.09Å; I43-T50 HydrophobicContact CD1-CG2 3.74Å; I43-T50 HydrophobicContact CG1-CG2 3.86Å; G48-T50 PolarHBondContact O-N 2.85Å; T50-Y52 HydrophobicContact CG2-CE2 4.36Å; T50-Y52 WeakPolarHBondContact OG1-CE2 3.49Å; T50-L62 HydrophobicContact CG2-CB 4.06Å
51	F	94.7	Very high	94.1	Very high	125 Å²	125	63.4 Å²	63.4	55%	0.548	32%	0.322	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	136.2	167.1	-168.5	-111	0	0	0	109.1	W39 G41 R42	W39-F51 HydrophobicContact CH2-CB 4.4Å; W39-F51 AromaticContact CH2-CD1 3.41Å; W39-F51 HydrophobicContact CH2-CD1 3.41Å; W39-F51 VanDerWaalsContact CH2-CD1 3.41Å; W39-F51 HydrophobicContact CH2-CE1 4.09Å; W39-F51 HydrophobicContact CH2-CG 4.31Å; W39-F51 WeakPolarHBondContact CH2-O 2.95Å; W39-F51 HydrophobicContact CZ2-CD1 4.39Å; W39-F51 AromaticContact CZ3-CD1 3.95Å; W39-F51 HydrophobicContact CZ3-CD1 3.95Å; W39-F51 HydrophobicContact CZ3-CE1 4.18Å; G41-F51 CarbonylContact C-O 3.6Å; G41-F51 WeakPolarHBondContact CA-O 3.3Å; R42-F51 HydrophobicContact CG-CB 4.08Å; R42-F51 PolarHBondContact N-O 2.7Å; R42-F51 PolarHBondContact O-N 2.86Å
52	Y	95	Very high	94.2	Very high	49 Å²	49	63.8 Å²	63.8	19%	0.192	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122	146.8	-175.9	-66.3	-88.5	0	0	0	110.8	T50 A60 L62	T50-Y52 HydrophobicContact CG2-CE2 4.36Å; T50-Y52 WeakPolarHBondContact OG1-CE2 3.49Å; Y52-A60 HydrophobicContact CE1-CB 4.46Å; Y52-A60 WeakPolarHBondContact CE1-O 3.04Å; Y52-L62 HydrophobicContact CE1-CD1 4.08Å; Y52-L62 HydrophobicContact CE1-CG 3.71Å; Y52-L62 PolarHBondContact OH-N 3.49Å
53	N	94.3	Very high	94.3	Very high	50 Å²	50	64.1 Å²	64.1	27%	0.267	33%	0.332	S	S	.	.			trans	-70.2	137.5	158.1	-179	-22.2	0	0	0	108.8	W39 I40 K55 F56 K57	W39-N53 HydrophobicContact CE3-CB 3.89Å; W39-N53 HydrophobicContact CZ3-CB 3.99Å; W39-N53 VanDerWaalsContact O-CB 3.23Å; W39-N53 WeakPolarHBondContact O-CB 3.42Å; W39-N53 PolarHBondContact O-ND2 3.28Å; I40-N53 WeakPolarHBondContact O-CB 3.47Å; I40-N53 PolarHBondContact O-N 3.32Å; N53-K55 PolarHBondContact O-N 3.36Å; N53-K55 VanDerWaalsContact O-N 3.12Å; N53-K55 PolarHBondContact OD1-N 3.17Å; N53-F56 HydrophobicContact CB-CD2 4.08Å; N53-F56 PolarHBondContact O-N 2.87Å; N53-K57 PolarHBondContact O-N 3.02Å
54	Q	93.4	Very high	94.4	Very high	145 Å²	145	65.7 Å²	65.7	68%	0.678	34%	0.342	S	S	*	.	G	3₁₀ helix	trans	-54.2	-34.9	-177.2	-64.7	-61.5	-23	0	0	112.8	F56 K57	Q54-F56 PolarHBondContact O-N 3.34Å; Q54-K57 PolarHBondContact O-N 3.22Å
55	K	91.4	Very high	94.4	Very high	146 Å²	146	68 Å²	68	64%	0.635	35%	0.354	S	S	*	.	G	3₁₀ helix	trans	-59.4	-29.9	177.5	-69	-172.5	-175.3	-175.2	0	113.9	E38 N53	E38-K55 IonicContact OE2-NZ 2.8Å; E38-K55 PolarHBondContact OE2-NZ 3.4Å; N53-K55 PolarHBondContact O-N 3.36Å; N53-K55 VanDerWaalsContact O-N 3.12Å; N53-K55 PolarHBondContact OD1-N 3.17Å
56	F	92.9	Very high	94.3	Very high	10 Å²	10	73.2 Å²	73.2	4%	0.044	38%	0.377	C	S	.	.	G	3₁₀ helix	trans	-108	-2	-174	-62.1	-84	0	0	0	112.8	K30 E38 I40 N53 Q54 G58 K59 A60	K30-F56 HydrophobicContact CB-CZ 4.41Å; K30-F56 HydrophobicContact CD-CE1 3.92Å; K30-F56 HydrophobicContact CD-CZ 4Å; E38-F56 HydrophobicContact CB-CE2 4.4Å; E38-F56 HydrophobicContact CB-CZ 4.38Å; I40-F56 HydrophobicContact CB-CD2 4.23Å; I40-F56 HydrophobicContact CB-CG 4.21Å; I40-F56 HydrophobicContact CG1-CD1 4.14Å; I40-F56 HydrophobicContact CG1-CD2 4.2Å; I40-F56 HydrophobicContact CG1-CE1 4.05Å; I40-F56 HydrophobicContact CG1-CE2 4.1Å; I40-F56 HydrophobicContact CG1-CG 4.21Å; I40-F56 HydrophobicContact CG1-CZ 4.03Å; I40-F56 HydrophobicContact CG2-CB 3.74Å; I40-F56 HydrophobicContact CG2-CD1 4.11Å; I40-F56 HydrophobicContact CG2-CD2 4.29Å; I40-F56 HydrophobicContact CG2-CG 3.79Å; N53-F56 HydrophobicContact CB-CD2 4.08Å; N53-F56 PolarHBondContact O-N 2.87Å; Q54-F56 PolarHBondContact O-N 3.34Å; F56-G58 PolarHBondContact O-N 3.22Å; F56-K59 PolarHBondContact O-N 3.28Å; F56-A60 HydrophobicContact CB-CB 4.37Å; F56-A60 PolarHBondContact O-N 3.12Å
57	K	92.3	Very high	94.3	Very high	138 Å²	138	70.8 Å²	70.8	60%	0.6	38%	0.384	S	S	*	.	B	Isolated β-bridge	trans	-64.1	123.9	177.2	-167.6	175.6	-178.8	-177.8	0	109.3	N53 Q54 K59	N53-K57 PolarHBondContact O-N 3.02Å; Q54-K57 PolarHBondContact O-N 3.22Å; K57-K59 PolarHBondContact O-N 2.96Å
58	G	91.3	Very high	94.3	Very high	67 Å²	67	69 Å²	69	69%	0.691	38%	0.377	S	S	*	.	T	Hydrogen-bonded Turn	trans	82.9	-12.9	-175.1	0	0	0	0	0	114.8	F56	F56-G58 PolarHBondContact O-N 3.22Å
59	K	94.1	Very high	94.3	Very high	43 Å²	43	69.4 Å²	69.4	19%	0.187	38%	0.375	C	S	.	.	T	Hydrogen-bonded Turn	trans	-93.4	-41.5	173.2	-176.7	68.5	177	-168.3	0	112	F56 K57 L76 S77 D82	F56-K59 PolarHBondContact O-N 3.28Å; K57-K59 PolarHBondContact O-N 2.96Å; K59-L76 VanDerWaalsContact CD-O 3.22Å; K59-L76 WeakPolarHBondContact CD-O 3.4Å; K59-L76 WeakPolarHBondContact CE-O 3.4Å; K59-L76 PolarHBondContact NZ-O 2.82Å; K59-L76 PolarHBondContact O-N 2.91Å; K59-S77 PolarHBondContact NZ-O 3.36Å; K59-D82 WeakPolarHBondContact CE-OD2 3.35Å; K59-D82 IonicContact NZ-OD2 2.7Å; K59-D82 PolarHBondContact NZ-OD2 2.98Å
60	A	95.8	Very high	94.4	Very high	3 Å²	3	65.2 Å²	65.2	3%	0.025	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	138.8	-179.5	0	0	0	0	0	111.1	I40 Y52 F56 M73 E74 L75	I40-A60 HydrophobicContact CG2-CB 3.81Å; Y52-A60 HydrophobicContact CE1-CB 4.46Å; Y52-A60 WeakPolarHBondContact CE1-O 3.04Å; F56-A60 HydrophobicContact CB-CB 4.37Å; F56-A60 PolarHBondContact O-N 3.12Å; A60-M73 HydrophobicContact CB-CG 4.34Å; A60-M73 HydrophobicContact CB-SD 4.42Å; A60-E74 CarbonylContact C-O 3.42Å; A60-E74 VanDerWaalsContact CA-O 3.31Å; A60-E74 WeakPolarHBondContact CA-O 3.35Å; A60-L75 HydrophobicContact CB-CD2 3.89Å
61	T	97.1	Very high	94.4	Very high	54 Å²	54	62.2 Å²	62.2	33%	0.331	34%	0.335	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	120.3	171.6	-59.4	0	0	0	0	108.9	T63 M73 E74	T61-T63 HydrophobicContact CG2-CG2 4.29Å; T61-M73 CarbonylContact O-C 3.52Å; T61-M73 WeakPolarHBondContact O-CA 3.15Å; T61-E74 PolarHBondContact N-O 2.82Å; T61-E74 PolarHBondContact O-N 2.88Å
62	L	97.1	Very high	94.4	Very high	8 Å²	8	57.4 Å²	57.4	4%	0.042	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	132.6	178.4	-53.6	-175.7	0	0	0	110.6	W28 I43 T50 Y52 H72 M73	W28-L62 VanDerWaalsContact CD1-CD2 3.47Å; W28-L62 HydrophobicContact CG-CD2 3.97Å; I43-L62 HydrophobicContact CB-CB 4.06Å; I43-L62 HydrophobicContact CB-CD1 4.36Å; I43-L62 HydrophobicContact CD1-CB 4.17Å; I43-L62 HydrophobicContact CG2-CB 4.38Å; T50-L62 HydrophobicContact CG2-CB 4.06Å; Y52-L62 HydrophobicContact CE1-CD1 4.08Å; Y52-L62 HydrophobicContact CE1-CG 3.71Å; Y52-L62 PolarHBondContact OH-N 3.49Å; L62-H72 WeakPolarHBondContact CA-O 3.16Å; L62-M73 HydrophobicContact CD2-CB 3.71Å; L62-M73 HydrophobicContact CD2-CG 3.64Å; L62-M73 HydrophobicContact CD2-SD 4.19Å
63	T	97.1	Very high	94.5	Very high	60 Å²	60	55.1 Å²	55.1	37%	0.368	31%	0.305	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.7	163.9	176.8	59	0	0	0	0	111.3	T61 A71 H72	T61-T63 HydrophobicContact CG2-CG2 4.29Å; T63-A71 WeakPolarHBondContact O-CA 3.34Å; T63-H72 PolarHBondContact N-O 2.91Å; T63-H72 PolarHBondContact O-N 2.9Å; T63-H72 WeakPolarHBondContact OG1-CB 3.43Å
64	V	96.3	Very high	94.6	Very high	37 Å²	37	56.3 Å²	56.3	22%	0.224	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	139.2	176.8	-71	0	0	0	0	110.6	F21 I43 P45 T70 A71	F21-V64 HydrophobicContact CE1-CB 4.33Å; F21-V64 HydrophobicContact CE1-CG1 4.34Å; F21-V64 HydrophobicContact CZ-CB 4.44Å; F21-V64 HydrophobicContact CZ-CG1 4.02Å; I43-V64 HydrophobicContact CD1-CB 4.47Å; I43-V64 HydrophobicContact CD1-CG1 3.79Å; I43-V64 HydrophobicContact CD1-CG2 4.21Å; I43-V64 HydrophobicContact CG1-CG1 3.91Å; I43-V64 HydrophobicContact CG2-CG1 3.79Å; P45-V64 HydrophobicContact CB-CG1 4.08Å; P45-V64 HydrophobicContact CG-CG1 4.22Å; V64-T70 WeakPolarHBondContact CA-O 3.43Å; V64-A71 HydrophobicContact CG1-CB 4.23Å
65	D	95.1	Very high	94.6	Very high	58 Å²	58	49.4 Å²	49.4	31%	0.31	28%	0.277	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	105.9	164.3	174.1	9.5	0	0	0	108.4	S67 S68 S69 T70	D65-S67 VanDerWaalsContact C-N 3.29Å; D65-S67 PolarHBondContact O-N 2.85Å; D65-S67 WeakPolarHBondContact OD1-CB 3.42Å; D65-S67 PolarHBondContact OD1-N 2.78Å; D65-S67 PolarHBondContact OD1-OG 3.39Å; D65-S67 PolarHBondContact OD2-OG 2.84Å; D65-S68 PolarHBondContact OD1-N 2.89Å; D65-S68 VanDerWaalsContact OD2-CB 3.29Å; D65-S68 WeakPolarHBondContact OD2-CB 3.47Å; D65-S68 PolarHBondContact OD2-OG 3Å; D65-S69 WeakPolarHBondContact O-CA 3.22Å; D65-S69 PolarHBondContact O-N 2.9Å; D65-S69 VanDerWaalsContact O-N 3.08Å; D65-T70 PolarHBondContact N-O 3.47Å; D65-T70 PolarHBondContact O-N 2.84Å
66	K	93	Very high	94.7	Very high	110 Å²	110	45 Å²	45	48%	0.478	26%	0.26	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.5	-28	-178.6	-55.3	-174.2	-160.4	-176.5	0	112	P45 Y46 S69	P45-K66 WeakPolarHBondContact O-CD 3.39Å; P45-K66 WeakPolarHBondContact O-CE 3.05Å; Y46-K66 PolarHBondContact O-NZ 2.86Å; K66-S69 PolarHBondContact O-N 2.87Å
67	S	92.4	Very high	94.6	Very high	111 Å²	111	48.2 Å²	48.2	78%	0.776	28%	0.284	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68	-39.6	-177.6	73.7	0	0	0	0	111.5	D65	D65-S67 VanDerWaalsContact C-N 3.29Å; D65-S67 PolarHBondContact O-N 2.85Å; D65-S67 WeakPolarHBondContact OD1-CB 3.42Å; D65-S67 PolarHBondContact OD1-N 2.78Å; D65-S67 PolarHBondContact OD1-OG 3.39Å; D65-S67 PolarHBondContact OD2-OG 2.84Å
68	S	93.8	Very high	94.5	Very high	40 Å²	40	42.4 Å²	42.4	28%	0.28	26%	0.259	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.8	-2	177	68	0	0	0	0	113.7	D65 T70	D65-S68 PolarHBondContact OD1-N 2.89Å; D65-S68 VanDerWaalsContact OD2-CB 3.29Å; D65-S68 WeakPolarHBondContact OD2-CB 3.47Å; D65-S68 PolarHBondContact OD2-OG 3Å; S68-T70 VanDerWaalsContact C-N 3.27Å; S68-T70 PolarHBondContact O-N 2.94Å; S68-T70 PolarHBondContact O-OG1 2.8Å; S68-T70 WeakPolarHBondContact OG-CB 3.4Å; S68-T70 PolarHBondContact OG-OG1 3.45Å
69	S	94	Very high	94.5	Very high	40 Å²	40	42.5 Å²	42.5	28%	0.28	25%	0.246	S	C	.	.	T	Hydrogen-bonded Turn	trans	53.4	43.3	-172	-63.6	0	0	0	0	112.7	A16 D65 K66	A16-S69 WeakPolarHBondContact CB-O 3.27Å; A16-S69 PolarHBondContact N-O 2.66Å; D65-S69 WeakPolarHBondContact O-CA 3.22Å; D65-S69 PolarHBondContact O-N 2.9Å; D65-S69 VanDerWaalsContact O-N 3.08Å; K66-S69 PolarHBondContact O-N 2.87Å
70	T	95.3	Very high	94.1	Very high	13 Å²	13	45.5 Å²	45.5	8%	0.08	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	132.7	-175.4	-49.8	0	0	0	0	110.5	C14 K15 V64 D65 S68 H72	C14-T70 WeakPolarHBondContact O-CA 3.41Å; K15-T70 HydrophobicContact CB-CG2 4.49Å; V64-T70 WeakPolarHBondContact CA-O 3.43Å; D65-T70 PolarHBondContact N-O 3.47Å; D65-T70 PolarHBondContact O-N 2.84Å; S68-T70 VanDerWaalsContact C-N 3.27Å; S68-T70 PolarHBondContact O-N 2.94Å; S68-T70 PolarHBondContact O-OG1 2.8Å; S68-T70 WeakPolarHBondContact OG-CB 3.4Å; S68-T70 PolarHBondContact OG-OG1 3.45Å; T70-H72 WeakPolarHBondContact CG2-CE1 3.3Å
71	A	95.6	Very high	93.7	Very high	0 Å²	0	52.6 Å²	52.6	0%	0	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	146.7	165.9	0	0	0	0	0	109.4	S13 C14 F21 M26 W28 T63 V64	S13-A71 CarbonylContact C-O 3.55Å; C14-A71 PolarHBondContact N-O 2.8Å; C14-A71 PolarHBondContact O-N 3Å; F21-A71 HydrophobicContact CE2-CB 4.37Å; F21-A71 HydrophobicContact CZ-CB 4.04Å; M26-A71 HydrophobicContact CB-CB 4.05Å; M26-A71 HydrophobicContact CG-CB 3.62Å; W28-A71 HydrophobicContact CZ2-CB 4.13Å; T63-A71 WeakPolarHBondContact O-CA 3.34Å; V64-A71 HydrophobicContact CG1-CB 4.23Å
72	H	96.3	Very high	93.3	Very high	24 Å²	24	50.8 Å²	50.8	11%	0.111	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	148.4	174.8	-49.1	-83	0	0	0	111.4	K11 I12 S13 L62 T63 T70	K11-H72 VanDerWaalsContact CE-CB 3.47Å; K11-H72 WeakPolarHBondContact CE-ND1 3.45Å; K11-H72 HydrophobicContact CG-CB 4.24Å; I12-H72 CarbonylContact O-C 3.58Å; I12-H72 WeakPolarHBondContact O-CA 3.46Å; S13-H72 WeakPolarHBondContact CB-ND1 3.32Å; S13-H72 PolarHBondContact OG-CE1 2.83Å; S13-H72 PolarHBondContact OG-ND1 3.46Å; L62-H72 WeakPolarHBondContact CA-O 3.16Å; T63-H72 PolarHBondContact N-O 2.91Å; T63-H72 PolarHBondContact O-N 2.9Å; T63-H72 WeakPolarHBondContact OG1-CB 3.43Å; T70-H72 WeakPolarHBondContact CG2-CE1 3.3Å
73	M	96.4	Very high	92.9	Very high	0 Å²	0	54.3 Å²	54.3	0%	0	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	121.3	167	176.8	177.8	73.2	0	0	108.4	I12 W28 I40 A60 T61 L62 L75 Y86	I12-M73 HydrophobicContact CD1-CE 3.54Å; I12-M73 PolarHBondContact N-O 3.2Å; I12-M73 PolarHBondContact O-N 3.35Å; W28-M73 HydrophobicContact CB-SD 3.9Å; W28-M73 HydrophobicContact CD2-CB 3.65Å; W28-M73 HydrophobicContact CD2-CE 4.49Å; W28-M73 HydrophobicContact CD2-CG 4.43Å; W28-M73 HydrophobicContact CD2-SD 4.05Å; W28-M73 HydrophobicContact CE3-CB 3.77Å; W28-M73 HydrophobicContact CE3-CE 3.86Å; W28-M73 HydrophobicContact CE3-SD 4.01Å; W28-M73 HydrophobicContact CG-CB 4.26Å; W28-M73 HydrophobicContact CG-SD 4.03Å; W28-M73 HydrophobicContact CH2-CB 3.94Å; W28-M73 HydrophobicContact CZ2-CB 3.84Å; W28-M73 HydrophobicContact CZ3-CB 3.92Å; W28-M73 HydrophobicContact CZ3-CE 4.33Å; I40-M73 HydrophobicContact CD1-CE 3.9Å; I40-M73 HydrophobicContact CD1-SD 3.54Å; I40-M73 VanDerWaalsContact CD1-SD 3.54Å; I40-M73 HydrophobicContact CG2-SD 3.97Å; A60-M73 HydrophobicContact CB-CG 4.34Å; A60-M73 HydrophobicContact CB-SD 4.42Å; T61-M73 CarbonylContact O-C 3.52Å; T61-M73 WeakPolarHBondContact O-CA 3.15Å; L62-M73 HydrophobicContact CD2-CB 3.71Å; L62-M73 HydrophobicContact CD2-CG 3.64Å; L62-M73 HydrophobicContact CD2-SD 4.19Å; M73-L75 HydrophobicContact CE-CD1 3.92Å; M73-L75 HydrophobicContact CE-CD2 4.3Å; M73-L75 HydrophobicContact CE-CG 4.03Å; M73-L75 HydrophobicContact CG-CG 4.43Å; M73-L75 HydrophobicContact SD-CD2 4.28Å; M73-Y86 HydrophobicContact CE-CD1 3.53Å; M73-Y86 HydrophobicContact CE-CE1 4.03Å; M73-Y86 HydrophobicContact CE-CG 4.09Å
74	E	95.8	Very high	92.7	Very high	76 Å²	76	52.5 Å²	52.5	36%	0.355	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	124.9	170.8	-172.6	173.7	-170.6	0	0	109.2	V10 A60 T61 L76	V10-E74 CarbonylContact O-C 3.58Å; V10-E74 VanDerWaalsContact O-CA 3.3Å; V10-E74 WeakPolarHBondContact O-CA 3.28Å; A60-E74 CarbonylContact C-O 3.42Å; A60-E74 VanDerWaalsContact CA-O 3.31Å; A60-E74 WeakPolarHBondContact CA-O 3.35Å; T61-E74 PolarHBondContact N-O 2.82Å; T61-E74 PolarHBondContact O-N 2.88Å; E74-L76 HydrophobicContact CG-CD2 4.01Å
75	L	94.3	Very high	92.4	Very high	0 Å²	0	53.6 Å²	53.6	0%	0	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	126.1	173.4	-67.7	167.3	0	0	0	108.6	S9 V10 I12 A60 M73 L78 Y86	S9-L75 CarbonylContact C-O 3.48Å; S9-L75 WeakPolarHBondContact CA-O 2.88Å; S9-L75 WeakPolarHBondContact CB-O 3.45Å; V10-L75 HydrophobicContact CG1-CB 4.02Å; V10-L75 HydrophobicContact CG1-CD1 4.23Å; V10-L75 PolarHBondContact N-O 3Å; V10-L75 PolarHBondContact O-N 2.98Å; I12-L75 HydrophobicContact CD1-CD1 4.02Å; A60-L75 HydrophobicContact CB-CD2 3.89Å; M73-L75 HydrophobicContact CE-CD1 3.92Å; M73-L75 HydrophobicContact CE-CD2 4.3Å; M73-L75 HydrophobicContact CE-CG 4.03Å; M73-L75 HydrophobicContact CG-CG 4.43Å; M73-L75 HydrophobicContact SD-CD2 4.28Å; L75-L78 HydrophobicContact CB-CD2 3.87Å; L75-L78 HydrophobicContact CD1-CD2 4.27Å; L75-Y86 HydrophobicContact CD1-CD1 4.29Å; L75-Y86 HydrophobicContact CD1-CE1 3.59Å; L75-Y86 HydrophobicContact CD1-CE2 3.95Å; L75-Y86 WeakPolarHBondContact CD1-OH 3.36Å
76	L	93.1	Very high	92.3	Very high	54 Å²	54	52 Å²	52	28%	0.283	31%	0.307	S	S	.	.	P	Polyproline II helix	trans	-96.8	149.1	-176	-57.6	176.6	0	0	0	111.5	S9 K59 E74 L78	S9-L76 WeakPolarHBondContact OG-CD2 3.1Å; K59-L76 VanDerWaalsContact CD-O 3.22Å; K59-L76 WeakPolarHBondContact CD-O 3.4Å; K59-L76 WeakPolarHBondContact CE-O 3.4Å; K59-L76 PolarHBondContact NZ-O 2.82Å; K59-L76 PolarHBondContact O-N 2.91Å; E74-L76 HydrophobicContact CG-CD2 4.01Å; L76-L78 PolarHBondContact O-N 2.95Å
77	S	91.3	Very high	92.3	Very high	77 Å²	77	49 Å²	49	54%	0.538	29%	0.293	S	S	.	.	S	Bend	trans	49.6	53.8	169.7	-54.7	0	0	0	0	113.4	A8 K59	A8-S77 PolarHBondContact O-N 2.78Å; K59-S77 PolarHBondContact NZ-O 3.36Å
78	L	90.4	Very high	92.3	Very high	16 Å²	16	44 Å²	44	8%	0.084	26%	0.257	C	S	.	.			trans	-54.4	137.8	-172.3	-72.4	170	0	0	0	112.9	V4 P6 G7 A8 V10 L75 L76 D82	V4-L78 HydrophobicContact CB-CD1 3.86Å; V4-L78 HydrophobicContact CG1-CD1 4.36Å; V4-L78 HydrophobicContact CG2-CD1 3.61Å; P6-L78 WeakPolarHBondContact CA-O 3.34Å; G7-L78 PolarHBondContact N-O 3.37Å; A8-L78 WeakPolarHBondContact O-CB 3.31Å; A8-L78 VanDerWaalsContact O-CG 3.3Å; A8-L78 WeakPolarHBondContact O-CG 3.2Å; A8-L78 PolarHBondContact O-N 3.43Å; V10-L78 HydrophobicContact CB-CD1 3.97Å; V10-L78 HydrophobicContact CG1-CD1 3.76Å; V10-L78 HydrophobicContact CG1-CD2 4.2Å; V10-L78 HydrophobicContact CG1-CG 4.4Å; L75-L78 HydrophobicContact CB-CD2 3.87Å; L75-L78 HydrophobicContact CD1-CD2 4.27Å; L76-L78 PolarHBondContact O-N 2.95Å; L78-D82 HydrophobicContact CD2-CB 3.64Å
79	T	90.1	Very high	92.1	Very high	69 Å²	69	42.3 Å²	42.3	42%	0.423	25%	0.247	S	C	.	.			trans	-115.9	172	172.6	69.9	0	0	0	0	110.5	E81 D82	T79-E81 PolarHBondContact O-N 2.61Å; T79-E81 PolarHBondContact OG1-N 3.5Å; T79-D82 PolarHBondContact N-OD2 3.08Å; T79-D82 WeakPolarHBondContact O-CB 3.31Å; T79-D82 PolarHBondContact O-N 3.16Å; T79-D82 PolarHBondContact OG1-OD2 3.26Å
80	S	86.4	Confident	91.8	Very high	106 Å²	106	42.9 Å²	42.9	74%	0.741	24%	0.243	S	C	*	.	G	3₁₀ helix	trans	-58.4	-28.2	174.4	51.2	0	0	0	0	112.8	D82 S83	S80-D82 PolarHBondContact O-N 3.25Å; S80-S83 VanDerWaalsContact O-CB 3.32Å; S80-S83 WeakPolarHBondContact O-CB 3.43Å; S80-S83 PolarHBondContact O-N 2.87Å
81	E	86.3	Confident	91.4	Very high	151 Å²	151	42.4 Å²	42.4	71%	0.706	24%	0.24	S	C	*	.	G	3₁₀ helix	trans	-69	-21.1	176.8	-59.3	-176	169.5	0	0	112.8	K30 T79 S83	K30-E81 WeakPolarHBondContact CE-O 3.49Å; K30-E81 PolarHBondContact NZ-O 3.46Å; T79-E81 PolarHBondContact O-N 2.61Å; T79-E81 PolarHBondContact OG1-N 3.5Å; E81-S83 VanDerWaalsContact C-N 3.26Å
82	D	88.8	Confident	90.6	Very high	16 Å²	16	47.8 Å²	47.8	9%	0.086	26%	0.263	C	S	.	.	G	3₁₀ helix	trans	-80.9	-5.4	175.9	-61.8	-47.8	0	0	0	113	K30 K59 L78 T79 S80 A84 Y86	K30-D82 IonicContact NZ-OD1 3.53Å; K59-D82 WeakPolarHBondContact CE-OD2 3.35Å; K59-D82 IonicContact NZ-OD2 2.7Å; K59-D82 PolarHBondContact NZ-OD2 2.98Å; L78-D82 HydrophobicContact CD2-CB 3.64Å; T79-D82 PolarHBondContact N-OD2 3.08Å; T79-D82 WeakPolarHBondContact O-CB 3.31Å; T79-D82 PolarHBondContact O-N 3.16Å; T79-D82 PolarHBondContact OG1-OD2 3.26Å; S80-D82 PolarHBondContact O-N 3.25Å; D82-A84 PolarHBondContact O-N 2.81Å; D82-Y86 WeakPolarHBondContact O-CE2 3.39Å; D82-Y86 PolarHBondContact O-OH 3.3Å
83	S	89.7	Confident	89.3	Confident	83 Å²	83	51.2 Å²	51.2	58%	0.58	28%	0.276	S	S	*	.			trans	-66.6	105.2	171.6	-167.1	0	0	0	0	110.3	S80 E81	S80-S83 VanDerWaalsContact O-CB 3.32Å; S80-S83 WeakPolarHBondContact O-CB 3.43Å; S80-S83 PolarHBondContact O-N 2.87Å; E81-S83 VanDerWaalsContact C-N 3.26Å
84	A	91.5	Very high	87.7	Confident	22 Å²	22	54 Å²	54	18%	0.182	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-162.9	166.6	-173.4	0	0	0	0	0	110.5	K30 Q31 D82 Y86	K30-A84 HydrophobicContact CD-CB 4.14Å; K30-A84 HydrophobicContact CG-CB 3.49Å; K30-A84 VanDerWaalsContact CG-CB 3.49Å; Q31-A84 WeakPolarHBondContact O-CA 3.18Å; Q31-A84 WeakPolarHBondContact O-CB 2.99Å; D82-A84 PolarHBondContact O-N 2.81Å; A84-Y86 HydrophobicContact CB-CE2 4.06Å; A84-Y86 WeakPolarHBondContact O-CD2 3.47Å
85	V	91.5	Very high	86	Confident	60 Å²	60	54.9 Å²	54.9	36%	0.364	31%	0.312	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.3	132.8	164.6	-173.1	0	0	0	0	108.5	Q31 Y87	Q31-V85 PolarHBondContact N-O 2.73Å; Q31-V85 PolarHBondContact O-N 2.79Å; V85-Y87 HydrophobicContact CB-CE2 3.95Å; V85-Y87 HydrophobicContact CG1-CD1 4.45Å; V85-Y87 HydrophobicContact CG1-CD2 4.37Å; V85-Y87 HydrophobicContact CG1-CE1 3.77Å; V85-Y87 HydrophobicContact CG1-CE2 3.67Å; V85-Y87 WeakPolarHBondContact CG1-OH 3.38Å
86	Y	92.9	Very high	84	Confident	23 Å²	23	61 Å²	61	9%	0.09	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	134.3	178.9	-68.5	-87.2	0	0	0	110.1	I12 V29 K30 I40 M73 L75 D82 A84 G105	I12-Y86 HydrophobicContact CD1-CD1 4.35Å; I12-Y86 HydrophobicContact CD1-CD2 3.86Å; I12-Y86 HydrophobicContact CD1-CG 3.75Å; V29-Y86 WeakPolarHBondContact O-CA 3.33Å; K30-Y86 HydrophobicContact CB-CD1 4.13Å; K30-Y86 HydrophobicContact CB-CE1 3.89Å; K30-Y86 HydrophobicContact CD-CE1 4Å; K30-Y86 HydrophobicContact CG-CD1 4.27Å; K30-Y86 HydrophobicContact CG-CE1 3.72Å; I40-Y86 HydrophobicContact CD1-CD1 3.75Å; I40-Y86 HydrophobicContact CD1-CE1 3.8Å; M73-Y86 HydrophobicContact CE-CD1 3.53Å; M73-Y86 HydrophobicContact CE-CE1 4.03Å; M73-Y86 HydrophobicContact CE-CG 4.09Å; L75-Y86 HydrophobicContact CD1-CD1 4.29Å; L75-Y86 HydrophobicContact CD1-CE1 3.59Å; L75-Y86 HydrophobicContact CD1-CE2 3.95Å; L75-Y86 WeakPolarHBondContact CD1-OH 3.36Å; D82-Y86 WeakPolarHBondContact O-CE2 3.39Å; D82-Y86 PolarHBondContact O-OH 3.3Å; A84-Y86 HydrophobicContact CB-CE2 4.06Å; A84-Y86 WeakPolarHBondContact O-CD2 3.47Å; Y86-G105 WeakPolarHBondContact O-CA 3.38Å
87	Y	91.6	Very high	82.1	Confident	47 Å²	47	68.9 Å²	68.9	18%	0.184	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	150	-179.4	-56.5	-84.2	0	0	0	110.9	W28 V29 Q31 L37 V85 W102	W28-Y87 WeakPolarHBondContact CA-O 3.49Å; V29-Y87 PolarHBondContact N-O 3.27Å; V29-Y87 PolarHBondContact O-N 2.75Å; Q31-Y87 HydrophobicContact CB-CD2 4.39Å; Q31-Y87 HydrophobicContact CB-CE2 3.7Å; Q31-Y87 VanDerWaalsContact OE1-CE2 3.3Å; Q31-Y87 PolarHBondContact OE1-OH 2.83Å; L37-Y87 HydrophobicContact CD2-CD2 4.31Å; L37-Y87 HydrophobicContact CD2-CE2 4.3Å; V85-Y87 HydrophobicContact CB-CE2 3.95Å; V85-Y87 HydrophobicContact CG1-CD1 4.45Å; V85-Y87 HydrophobicContact CG1-CD2 4.37Å; V85-Y87 HydrophobicContact CG1-CE1 3.77Å; V85-Y87 HydrophobicContact CG1-CE2 3.67Å; V85-Y87 WeakPolarHBondContact CG1-OH 3.38Å; Y87-W102 VanDerWaalsContact CB-CE3 3.49Å; Y87-W102 HydrophobicContact CD1-CE3 4.08Å; Y87-W102 HydrophobicContact CD2-CE3 4.27Å; Y87-W102 HydrophobicContact CD2-CZ3 4.09Å; Y87-W102 AromaticContact CG-CE3 3.7Å; Y87-W102 HydrophobicContact CG-CE3 3.7Å; Y87-W102 AromaticContact CG-CZ3 3.92Å; Y87-W102 HydrophobicContact CG-CZ3 3.92Å
88	C	92.4	Very high	80.3	Confident	6 Å²	6	66.8 Å²	66.8	4%	0.041	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	146.1	166.8	63.2	0	0	0	0	110.4	C14 M26 N27 W28 G103	C14-C88 HydrophobicContact CB-CB 3.47Å; C14-C88 VanDerWaalsContact CB-CB 3.47Å; C14-C88 WeakPolarHBondContact CB-SG 3.5Å; C14-C88 WeakPolarHBondContact SG-CB 3.04Å; C14-C88 CovalentContact SG-SG 2.02Å; C14-C88 PolarHBondContact SG-SG 3.25Å; M26-C88 HydrophobicContact CG-CB 4.49Å; M26-C88 HydrophobicContact SD-CB 3.89Å; N27-C88 CarbonylContact O-C 3.56Å; N27-C88 WeakPolarHBondContact O-CA 3.5Å; W28-C88 HydrophobicContact CD2-CB 4.39Å; W28-C88 HydrophobicContact CE3-CB 4.14Å; W28-C88 HydrophobicContact CH2-CB 4.32Å; W28-C88 HydrophobicContact CZ3-CB 4.1Å; C88-G103 PolarHBondContact O-N 3.48Å
89	G	89.8	Confident	78.8	Confident	5 Å²	5	68.9 Å²	68.9	5%	0.052	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.6	148.3	175.3	0	0	0	0	0	114.4	N27 Y101	N27-G89 WeakPolarHBondContact CB-O 3.15Å; N27-G89 PolarHBondContact N-O 2.99Å; N27-G89 PolarHBondContact ND2-O 2.74Å; N27-G89 PolarHBondContact O-N 2.76Å; G89-Y101 WeakPolarHBondContact CA-O 3.29Å
90	R	88.9	Confident	77.1	Confident	53 Å²	53	70.2 Å²	70.2	20%	0.2	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.8	146.3	-177	71.9	-179.3	179.6	179.9	-2.4	112.1	Y24 F25 M99 D100	Y24-R90 HydrophobicContact CD1-CB 4.31Å; Y24-R90 HydrophobicContact CD1-CG 4.26Å; Y24-R90 HydrophobicContact CG-CB 4.37Å; F25-R90 VanDerWaalsContact O-CA 3.25Å; F25-R90 WeakPolarHBondContact O-CA 3.2Å; R90-M99 CarbonylContact O-C 3.55Å; R90-M99 WeakPolarHBondContact O-CA 3.35Å; R90-D100 PolarHBondContact O-N 3.36Å
91	S	85.4	Confident	75.5	Confident	2 Å²	2	72.2 Å²	72.2	1%	0.014	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.7	147.9	167.1	60.2	0	0	0	0	111.6	Y24 F25 N27 A98	Y24-S91 WeakPolarHBondContact CA-O 3.44Å; F25-S91 PolarHBondContact N-O 3.2Å; F25-S91 PolarHBondContact O-N 3.01Å; N27-S91 PolarHBondContact ND2-OG 3.41Å; S91-A98 VanDerWaalsContact CB-O 3.28Å; S91-A98 WeakPolarHBondContact CB-O 3.22Å
92	K	79.3	Confident	74.3	Confident	113 Å²	113	70.7 Å²	70.7	49%	0.491	35%	0.346	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.6	149.8	179.1	-75.4	-173.4	179.2	178.2	0	111.2	Y24 G94 N95	Y24-K92 HydrophobicContact CD1-CG 3.9Å; Y24-K92 HydrophobicContact CE1-CD 4.37Å; Y24-K92 HydrophobicContact CE1-CG 3.45Å; Y24-K92 VanDerWaalsContact CE1-CG 3.45Å; K92-G94 PolarHBondContact O-N 2.8Å; K92-N95 PolarHBondContact O-N 3.34Å; K92-N95 VanDerWaalsContact O-N 3.17Å
93	Y	69.2	Low	72.6	Confident	96 Å²	96	71 Å²	71	38%	0.376	35%	0.353	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.4	125.8	168.6	-61.9	-71.4	0	0	0	110.3	T22 G23 F25 N44	T22-Y93 PolarHBondContact O-OH 2.84Å; G23-Y93 VanDerWaalsContact O-CD2 3.28Å; G23-Y93 WeakPolarHBondContact O-CD2 3.42Å; G23-Y93 WeakPolarHBondContact O-CE2 3.42Å; F25-Y93 HydrophobicContact CD1-CE1 4.23Å; F25-Y93 AromaticContact CD2-CD1 3.95Å; F25-Y93 HydrophobicContact CD2-CD1 3.95Å; F25-Y93 HydrophobicContact CD2-CE1 4.14Å; F25-Y93 HydrophobicContact CE1-CD1 4.19Å; F25-Y93 AromaticContact CE1-CE1 3.82Å; F25-Y93 HydrophobicContact CE1-CE1 3.82Å; F25-Y93 AromaticContact CE2-CD1 3.3Å; F25-Y93 HydrophobicContact CE2-CD1 3.3Å; F25-Y93 AromaticContact CE2-CE1 3.74Å; F25-Y93 HydrophobicContact CE2-CE1 3.74Å; F25-Y93 HydrophobicContact CE2-CG 4.25Å; F25-Y93 HydrophobicContact CG-CE1 4.38Å; F25-Y93 AromaticContact CZ-CD1 3.44Å; F25-Y93 HydrophobicContact CZ-CD1 3.44Å; F25-Y93 VanDerWaalsContact CZ-CD1 3.44Å; F25-Y93 AromaticContact CZ-CE1 3.55Å; F25-Y93 HydrophobicContact CZ-CE1 3.55Å; N44-Y93 PolarHBondContact OD1-OH 3.01Å
94	G	63.3	Low	70.6	Confident	60 Å²	60	75.9 Å²	75.9	62%	0.619	37%	0.367	S	S	*	.	T	Hydrogen-bonded Turn	trans	88	-7.7	-180	0	0	0	0	0	116	K92	K92-G94 PolarHBondContact O-N 2.8Å
95	N	60.5	Low	68.4	Low	93 Å²	93	75.6 Å²	75.6	50%	0.497	37%	0.365	S	S	.	.			trans	-120.1	84.8	176	-123.9	-41.6	0	0	0	110.3	K92 Y97	K92-N95 PolarHBondContact O-N 3.34Å; K92-N95 VanDerWaalsContact O-N 3.17Å; N95-Y97 PolarHBondContact O-N 3.45Å
96	Y	52.7	Low	65.9	Low	130 Å²	130	77.8 Å²	77.8	51%	0.51	38%	0.379	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.8	-11.9	-175.1	-58.6	-58.9	0	0	0	114.3
97	Y	51.4	Low	63.3	Low	218 Å²	218	81.5 Å²	81.5	86%	0.855	41%	0.408	S	S	*	.	T	Hydrogen-bonded Turn	trans	-105.9	-5.5	-169.4	-59.3	-75.8	0	0	0	114.6	N95	N95-Y97 PolarHBondContact O-N 3.45Å
98	A	54.5	Low	61.9	Low	34 Å²	34	83.2 Å²	83.2	28%	0.281	42%	0.419	S	S	.	.			trans	-117.8	104.5	-179.5	0	0	0	0	0	110.7	S91	S91-A98 VanDerWaalsContact CB-O 3.28Å; S91-A98 WeakPolarHBondContact CB-O 3.22Å
99	M	59.4	Low	60.3	Low	59 Å²	59	87.3 Å²	87.3	29%	0.291	44%	0.439	S	S	.	.			trans	-93.5	99.8	169.1	-66.4	-176.6	-173.5	0	0	108.2	N27 V29 R90 Y101	N27-M99 HydrophobicContact CB-CE 3.86Å; N27-M99 HydrophobicContact CB-SD 4.18Å; V29-M99 HydrophobicContact CG2-SD 4.37Å; R90-M99 CarbonylContact O-C 3.55Å; R90-M99 WeakPolarHBondContact O-CA 3.35Å; M99-Y101 PolarHBondContact O-N 2.63Å
100	D	53.2	Low	58.7	Low	98 Å²	98	91.8 Å²	91.8	52%	0.524	46%	0.461	S	S	.	.			trans	-90.6	12.6	-164.8	-80.5	-17.7	0	0	0	114.8	R90	R90-D100 PolarHBondContact O-N 3.36Å
101	Y	54.2	Low	56.9	Low	148 Å²	148	94.1 Å²	94.1	58%	0.58	48%	0.476	S	S	*	.			trans	-166	129.9	170.8	-149.4	-105.5	0	0	0	110.3	G89 M99	G89-Y101 WeakPolarHBondContact CA-O 3.29Å; M99-Y101 PolarHBondContact O-N 2.63Å
102	W	59.1	Low	55.1	Low	119 Å²	119	99.9 Å²	99.9	45%	0.451	51%	0.505	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	106.5	170.6	-65.1	79.6	0	0	0	107.5	V29 L37 Y87	V29-W102 HydrophobicContact CB-CH2 4.38Å; V29-W102 HydrophobicContact CB-CZ3 4.1Å; V29-W102 HydrophobicContact CG1-CH2 4.24Å; V29-W102 HydrophobicContact CG1-CZ3 4.2Å; V29-W102 HydrophobicContact CG2-CH2 4.18Å; V29-W102 HydrophobicContact CG2-CZ3 4.25Å; L37-W102 HydrophobicContact CD1-CH2 3.73Å; L37-W102 HydrophobicContact CD1-CZ2 4.26Å; L37-W102 HydrophobicContact CD1-CZ3 4.37Å; L37-W102 HydrophobicContact CD2-CH2 4.34Å; L37-W102 HydrophobicContact CD2-CZ3 4.26Å; Y87-W102 VanDerWaalsContact CB-CE3 3.49Å; Y87-W102 HydrophobicContact CD1-CE3 4.08Å; Y87-W102 HydrophobicContact CD2-CE3 4.27Å; Y87-W102 HydrophobicContact CD2-CZ3 4.09Å; Y87-W102 AromaticContact CG-CE3 3.7Å; Y87-W102 HydrophobicContact CG-CE3 3.7Å; Y87-W102 AromaticContact CG-CZ3 3.92Å; Y87-W102 HydrophobicContact CG-CZ3 3.92Å
103	G	53.3	Low	53.5	Low	22 Å²	22	99 Å²	99	23%	0.227	51%	0.506	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.8	133.1	162.4	0	0	0	0	0	108.1	C88 G105	C88-G103 PolarHBondContact O-N 3.48Å; G103-G105 PolarHBondContact O-N 2.93Å
104	Q	47.5	Very low	52.4	Low	186 Å²	186	99.2 Å²	99.2	87%	0.869	52%	0.515	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-66.6	106.6	165.6	-85.2	-177	-23.8	0	0	107.3
105	G	45.8	Very low	51.5	Low	15 Å²	15	102.2 Å²	102.2	16%	0.155	51%	0.507	C	S	.	.			trans	-59.4	141.9	167.9	0	0	0	0	0	109.1	Y86 G103 S107	Y86-G105 WeakPolarHBondContact O-CA 3.38Å; G103-G105 PolarHBondContact O-N 2.93Å; G105-S107 PolarHBondContact O-N 2.71Å
106	T	39.9	Very low	50.8	Low	106 Å²	106	103 Å²	103	65%	0.65	51%	0.508	S	S	*	.			trans	-65.3	123.3	177.4	45.7	0	0	0	0	109
107	S	38.5	Very low	50.6	Low	101 Å²	101	100.5 Å²	100.5	71%	0.706	51%	0.508	S	S	*	.			trans	-58.7	0	174.1	55.5	0	0	0	0	111.3	P1 E2 G105	P1-S107 CarbonylContact C-O 3.29Å; P1-S107 VanDerWaalsContact C-O 3.29Å; P1-S107 VanDerWaalsContact C-OXT 3.3Å; P1-S107 WeakPolarHBondContact CA-O 3.05Å; P1-S107 WeakPolarHBondContact CA-OXT 3.48Å; P1-S107 VanDerWaalsContact CD-CB 3.45Å; P1-S107 WeakPolarHBondContact CD-OG 3.46Å; P1-S107 VanDerWaalsContact N-CB 3.26Å; E2-S107 PolarHBondContact N-O 3.39Å; E2-S107 PolarHBondContact N-OXT 2.73Å; G105-S107 PolarHBondContact O-N 2.71Å

Retrieved 107 of 107 residues in 23.2 ms (Link to these results)

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